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89507-31-3 | 10H-DIBENZO[F,H]PHENANTHRO[9',10':4,5]FURO[3,2-C]CHROMEN-10-ONE
CAS No: 89507-31-3 Catalog No: AG004156 MDL No:
Product Description
Catalog Number:
AG004156
Chemical Name:
10H-DIBENZO[F,H]PHENANTHRO[9',10':4,5]FURO[3,2-C]CHROMEN-10-ONE
CAS Number:
89507-31-3
Molecular Formula:
C31H20O3
Molecular Weight:
440.4887
IUPAC Name:
16,33-dioxaoctacyclo[16.15.0.02,15.03,8.09,14.019,32.020,25.026,31]tritriaconta-1(18),2(15),3,5,7,9,11,13,19(32),20,22,24,26,28,30-pentadecaen-17-one
InChI:
InChI=1S/C31H16O3/c32-31-27-25-21-13-5-1-9-17(21)19-11-3-7-15-23(19)28(25)33-30(27)26-22-14-6-2-10-18(22)20-12-4-8-16-24(20)29(26)34-31/h1-16H
InChI Key:
AYGFZQBWTZGWLH-UHFFFAOYSA-N
SMILES:
O=c1oc2c(c3c1c1c4CCCCc4c4c(c1o3)cccc4)c1ccccc1c1c2cccc1
UNII:
T183R5QD37
NSC Number:
346410
Properties
Complexity:
809
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.11g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.466g/mol
Monoisotopic Mass:
436.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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